USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= 0 X(o=-2.6,f=-2.4) USER MOD Set 1.2: A 52 MET CE :methyl -146:sc= -2.31 (180deg=-4.88!) USER MOD Set 1.3: A 53 ASN : amide:sc= -0.323 X(o=-2.6,f=-2.4) USER MOD Set 2.1: A 24 ASN : amide:sc= -3.79! C(o=-3.8!,f=-3.9!) USER MOD Set 2.2: A 26 SER OG : rot 179:sc= 0 USER MOD Single : A 5 THR OG1 : rot -43:sc= -0.0386! USER MOD Single : A 8 GLN : amide:sc= -0.529 K(o=-0.53,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ -139:sc= -1.16 (180deg=-3.01!) USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.286 (180deg=-1.21) USER MOD Single : A 23 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.2) USER MOD Single : A 28 SER OG : rot 45:sc= 1.2 USER MOD Single : A 29 SER OG : rot 180:sc= -0.206 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -6:sc= -1.72! USER MOD Single : A 44 SER OG : rot 43:sc= 0.821 USER MOD Single : A 60 ASN : amide:sc= -4.73! C(o=-4.7!,f=-8.6!) USER MOD Single : A 61 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-3.3!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 178:sc= -0.496 (180deg=-0.503) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -16.147 -0.549 -18.604 1.00 0.00 N ATOM 40 CA LEU A 4 -15.328 -0.009 -17.481 1.00 0.00 C ATOM 41 C LEU A 4 -15.977 -0.358 -16.138 1.00 0.00 C ATOM 42 O LEU A 4 -16.392 -1.477 -15.915 1.00 0.00 O ATOM 43 CB LEU A 4 -15.307 1.504 -17.704 1.00 0.00 C ATOM 44 CG LEU A 4 -14.838 1.805 -19.128 1.00 0.00 C ATOM 45 CD1 LEU A 4 -16.048 2.124 -20.008 1.00 0.00 C ATOM 46 CD2 LEU A 4 -13.892 3.008 -19.108 1.00 0.00 C ATOM 0 HA LEU A 4 -14.322 -0.428 -17.458 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.302 1.920 -17.542 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.642 1.979 -16.983 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.316 0.937 -19.530 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.713 2.339 -21.023 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.723 1.269 -20.022 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.571 2.993 -19.607 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.557 3.224 -20.122 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.415 3.876 -18.706 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.029 2.782 -18.481 1.00 0.00 H new ATOM 58 N THR A 5 -16.074 0.587 -15.242 1.00 0.00 N ATOM 59 CA THR A 5 -16.705 0.297 -13.920 1.00 0.00 C ATOM 60 C THR A 5 -16.085 -0.959 -13.304 1.00 0.00 C ATOM 61 O THR A 5 -14.899 -1.197 -13.418 1.00 0.00 O ATOM 62 CB THR A 5 -18.191 0.066 -14.222 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.386 -1.286 -14.617 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.651 0.999 -15.346 1.00 0.00 C ATOM 0 H THR A 5 -15.745 1.544 -15.367 1.00 0.00 H new ATOM 0 HA THR A 5 -16.557 1.110 -13.209 1.00 0.00 H new ATOM 0 HB THR A 5 -18.775 0.276 -13.326 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.674 -1.552 -15.236 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.707 0.827 -15.552 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.505 2.035 -15.041 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.068 0.800 -16.245 1.00 0.00 H new ATOM 72 N GLU A 6 -16.879 -1.767 -12.653 1.00 0.00 N ATOM 73 CA GLU A 6 -16.337 -3.009 -12.031 1.00 0.00 C ATOM 74 C GLU A 6 -15.342 -3.680 -12.980 1.00 0.00 C ATOM 75 O GLU A 6 -14.403 -4.326 -12.560 1.00 0.00 O ATOM 76 CB GLU A 6 -17.558 -3.901 -11.808 1.00 0.00 C ATOM 77 CG GLU A 6 -18.003 -4.516 -13.138 1.00 0.00 C ATOM 78 CD GLU A 6 -17.172 -5.768 -13.425 1.00 0.00 C ATOM 79 OE1 GLU A 6 -16.455 -6.196 -12.535 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.267 -6.277 -14.529 1.00 0.00 O ATOM 0 H GLU A 6 -17.880 -1.620 -12.525 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.803 -2.812 -11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.318 -4.690 -11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.372 -3.318 -11.377 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.062 -4.771 -13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.881 -3.793 -13.944 1.00 0.00 H new ATOM 87 N GLU A 7 -15.539 -3.518 -14.258 1.00 0.00 N ATOM 88 CA GLU A 7 -14.603 -4.131 -15.240 1.00 0.00 C ATOM 89 C GLU A 7 -13.264 -3.398 -15.185 1.00 0.00 C ATOM 90 O GLU A 7 -12.214 -4.005 -15.100 1.00 0.00 O ATOM 91 CB GLU A 7 -15.270 -3.936 -16.602 1.00 0.00 C ATOM 92 CG GLU A 7 -15.035 -5.176 -17.468 1.00 0.00 C ATOM 93 CD GLU A 7 -16.350 -5.937 -17.637 1.00 0.00 C ATOM 94 OE1 GLU A 7 -17.318 -5.323 -18.052 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.367 -7.123 -17.348 1.00 0.00 O ATOM 0 H GLU A 7 -16.309 -2.987 -14.665 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.408 -5.184 -15.038 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.339 -3.766 -16.474 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.863 -3.053 -17.095 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.644 -4.883 -18.443 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.287 -5.820 -17.005 1.00 0.00 H new ATOM 102 N GLN A 8 -13.295 -2.094 -15.214 1.00 0.00 N ATOM 103 CA GLN A 8 -12.019 -1.327 -15.144 1.00 0.00 C ATOM 104 C GLN A 8 -11.428 -1.475 -13.741 1.00 0.00 C ATOM 105 O GLN A 8 -10.255 -1.742 -13.574 1.00 0.00 O ATOM 106 CB GLN A 8 -12.400 0.132 -15.452 1.00 0.00 C ATOM 107 CG GLN A 8 -12.759 0.884 -14.163 1.00 0.00 C ATOM 108 CD GLN A 8 -12.980 2.364 -14.481 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.325 2.917 -15.342 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.881 3.033 -13.817 1.00 0.00 N ATOM 0 H GLN A 8 -14.142 -1.530 -15.283 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.266 -1.681 -15.848 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.570 0.632 -15.951 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.246 0.155 -16.139 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.659 0.458 -13.719 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.960 0.774 -13.430 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.431 2.569 -13.094 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.036 4.020 -14.020 1.00 0.00 H new ATOM 119 N ILE A 9 -12.241 -1.317 -12.733 1.00 0.00 N ATOM 120 CA ILE A 9 -11.742 -1.462 -11.340 1.00 0.00 C ATOM 121 C ILE A 9 -11.036 -2.806 -11.182 1.00 0.00 C ATOM 122 O ILE A 9 -9.854 -2.868 -10.916 1.00 0.00 O ATOM 123 CB ILE A 9 -12.992 -1.419 -10.466 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.671 -0.056 -10.611 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.598 -1.643 -9.006 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.169 -0.205 -10.339 1.00 0.00 C ATOM 0 H ILE A 9 -13.233 -1.093 -12.816 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.028 -0.684 -11.071 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.683 -2.201 -10.780 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.232 0.657 -9.913 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.509 0.339 -11.614 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.490 -1.613 -8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.116 -2.615 -8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.907 -0.861 -8.692 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.656 0.765 -10.442 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.601 -0.905 -11.054 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.319 -0.581 -9.327 1.00 0.00 H new ATOM 138 N ALA A 10 -11.753 -3.884 -11.349 1.00 0.00 N ATOM 139 CA ALA A 10 -11.118 -5.226 -11.210 1.00 0.00 C ATOM 140 C ALA A 10 -9.756 -5.230 -11.908 1.00 0.00 C ATOM 141 O ALA A 10 -8.757 -5.643 -11.347 1.00 0.00 O ATOM 142 CB ALA A 10 -12.078 -6.194 -11.900 1.00 0.00 C ATOM 0 H ALA A 10 -12.748 -3.894 -11.575 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.947 -5.500 -10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.679 -7.207 -11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.049 -6.157 -11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.191 -5.910 -12.946 1.00 0.00 H new ATOM 148 N GLU A 11 -9.705 -4.761 -13.125 1.00 0.00 N ATOM 149 CA GLU A 11 -8.406 -4.728 -13.854 1.00 0.00 C ATOM 150 C GLU A 11 -7.423 -3.821 -13.113 1.00 0.00 C ATOM 151 O GLU A 11 -6.262 -4.146 -12.946 1.00 0.00 O ATOM 152 CB GLU A 11 -8.737 -4.151 -15.232 1.00 0.00 C ATOM 153 CG GLU A 11 -8.600 -5.246 -16.291 1.00 0.00 C ATOM 154 CD GLU A 11 -9.865 -5.286 -17.151 1.00 0.00 C ATOM 155 OE1 GLU A 11 -10.474 -4.243 -17.323 1.00 0.00 O ATOM 156 OE2 GLU A 11 -10.202 -6.359 -17.623 1.00 0.00 O ATOM 0 H GLU A 11 -10.505 -4.400 -13.645 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.944 -5.712 -13.930 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.751 -3.751 -15.236 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.067 -3.323 -15.462 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.728 -5.055 -16.917 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.443 -6.212 -15.812 1.00 0.00 H new ATOM 163 N PHE A 12 -7.882 -2.688 -12.658 1.00 0.00 N ATOM 164 CA PHE A 12 -6.983 -1.761 -11.917 1.00 0.00 C ATOM 165 C PHE A 12 -6.475 -2.444 -10.647 1.00 0.00 C ATOM 166 O PHE A 12 -5.291 -2.472 -10.376 1.00 0.00 O ATOM 167 CB PHE A 12 -7.857 -0.555 -11.576 1.00 0.00 C ATOM 168 CG PHE A 12 -8.095 0.258 -12.828 1.00 0.00 C ATOM 169 CD1 PHE A 12 -7.014 0.628 -13.636 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.395 0.642 -13.182 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.230 1.380 -14.796 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.611 1.395 -14.343 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.528 1.764 -15.149 1.00 0.00 C ATOM 0 H PHE A 12 -8.843 -2.364 -12.768 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.106 -1.470 -12.495 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.807 -0.887 -11.157 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.371 0.058 -10.817 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.011 0.333 -13.364 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.231 0.357 -12.560 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.395 1.664 -15.419 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.613 1.691 -14.616 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.694 2.345 -16.044 1.00 0.00 H new ATOM 183 N LYS A 13 -7.363 -3.004 -9.870 1.00 0.00 N ATOM 184 CA LYS A 13 -6.931 -3.698 -8.624 1.00 0.00 C ATOM 185 C LYS A 13 -5.696 -4.545 -8.919 1.00 0.00 C ATOM 186 O LYS A 13 -4.674 -4.418 -8.274 1.00 0.00 O ATOM 187 CB LYS A 13 -8.113 -4.585 -8.231 1.00 0.00 C ATOM 188 CG LYS A 13 -9.090 -3.783 -7.369 1.00 0.00 C ATOM 189 CD LYS A 13 -9.882 -4.737 -6.471 1.00 0.00 C ATOM 190 CE LYS A 13 -9.109 -4.975 -5.172 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.226 -6.140 -5.456 1.00 0.00 N ATOM 0 H LYS A 13 -8.368 -3.011 -10.045 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.668 -3.005 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.618 -4.953 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.759 -5.458 -7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.546 -3.061 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.770 -3.216 -8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.863 -4.316 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.049 -5.683 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.526 -4.097 -4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.785 -5.185 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.213 -6.775 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.587 -6.655 -6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.261 -5.805 -5.650 1.00 0.00 H new ATOM 205 N GLU A 14 -5.776 -5.401 -9.902 1.00 0.00 N ATOM 206 CA GLU A 14 -4.595 -6.239 -10.244 1.00 0.00 C ATOM 207 C GLU A 14 -3.375 -5.336 -10.439 1.00 0.00 C ATOM 208 O GLU A 14 -2.300 -5.607 -9.939 1.00 0.00 O ATOM 209 CB GLU A 14 -4.965 -6.937 -11.554 1.00 0.00 C ATOM 210 CG GLU A 14 -4.883 -8.453 -11.366 1.00 0.00 C ATOM 211 CD GLU A 14 -5.906 -8.893 -10.318 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.640 -8.044 -9.842 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.938 -10.074 -10.010 1.00 0.00 O ATOM 0 H GLU A 14 -6.603 -5.555 -10.479 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.349 -6.960 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.972 -6.652 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.290 -6.622 -12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.076 -8.958 -12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.879 -8.737 -11.051 1.00 0.00 H new ATOM 220 N ALA A 15 -3.540 -4.253 -11.152 1.00 0.00 N ATOM 221 CA ALA A 15 -2.397 -3.324 -11.369 1.00 0.00 C ATOM 222 C ALA A 15 -2.002 -2.671 -10.043 1.00 0.00 C ATOM 223 O ALA A 15 -0.850 -2.671 -9.660 1.00 0.00 O ATOM 224 CB ALA A 15 -2.914 -2.273 -12.351 1.00 0.00 C ATOM 0 H ALA A 15 -4.417 -3.974 -11.592 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.514 -3.835 -11.754 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.125 -1.551 -12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.216 -2.759 -13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.771 -1.758 -11.916 1.00 0.00 H new ATOM 230 N PHE A 16 -2.953 -2.116 -9.337 1.00 0.00 N ATOM 231 CA PHE A 16 -2.625 -1.469 -8.035 1.00 0.00 C ATOM 232 C PHE A 16 -1.668 -2.359 -7.241 1.00 0.00 C ATOM 233 O PHE A 16 -0.520 -2.022 -7.032 1.00 0.00 O ATOM 234 CB PHE A 16 -3.960 -1.338 -7.302 1.00 0.00 C ATOM 235 CG PHE A 16 -3.702 -0.916 -5.876 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.421 0.425 -5.583 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.738 -1.864 -4.847 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.176 0.816 -4.261 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.494 -1.473 -3.525 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.213 -0.133 -3.232 1.00 0.00 C ATOM 0 H PHE A 16 -3.937 -2.083 -9.605 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.139 -0.502 -8.165 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.593 -0.605 -7.802 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.495 -2.288 -7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.393 1.157 -6.377 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.954 -2.898 -5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.959 1.849 -4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.523 -2.205 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.025 0.169 -2.212 1.00 0.00 H new ATOM 250 N ALA A 17 -2.131 -3.498 -6.803 1.00 0.00 N ATOM 251 CA ALA A 17 -1.244 -4.410 -6.030 1.00 0.00 C ATOM 252 C ALA A 17 0.127 -4.493 -6.705 1.00 0.00 C ATOM 253 O ALA A 17 1.153 -4.395 -6.063 1.00 0.00 O ATOM 254 CB ALA A 17 -1.943 -5.770 -6.062 1.00 0.00 C ATOM 0 H ALA A 17 -3.083 -3.835 -6.947 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.081 -4.066 -5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.348 -6.498 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.928 -5.684 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.053 -6.099 -7.096 1.00 0.00 H new ATOM 260 N LEU A 18 0.149 -4.665 -8.000 1.00 0.00 N ATOM 261 CA LEU A 18 1.455 -4.745 -8.714 1.00 0.00 C ATOM 262 C LEU A 18 2.365 -3.599 -8.265 1.00 0.00 C ATOM 263 O LEU A 18 3.568 -3.746 -8.180 1.00 0.00 O ATOM 264 CB LEU A 18 1.106 -4.606 -10.196 1.00 0.00 C ATOM 265 CG LEU A 18 2.263 -5.136 -11.045 1.00 0.00 C ATOM 266 CD1 LEU A 18 2.030 -6.614 -11.361 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.341 -4.343 -12.351 1.00 0.00 C ATOM 0 H LEU A 18 -0.677 -4.753 -8.591 1.00 0.00 H new ATOM 0 HA LEU A 18 1.986 -5.675 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.194 -5.160 -10.419 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.912 -3.561 -10.438 1.00 0.00 H new ATOM 0 HG LEU A 18 3.197 -5.025 -10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.855 -6.991 -11.966 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.973 -7.180 -10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.096 -6.726 -11.911 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.165 -4.720 -12.957 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.406 -4.454 -12.901 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.507 -3.289 -12.127 1.00 0.00 H new ATOM 279 N PHE A 19 1.797 -2.461 -7.970 1.00 0.00 N ATOM 280 CA PHE A 19 2.629 -1.307 -7.522 1.00 0.00 C ATOM 281 C PHE A 19 3.009 -1.481 -6.048 1.00 0.00 C ATOM 282 O PHE A 19 4.162 -1.384 -5.680 1.00 0.00 O ATOM 283 CB PHE A 19 1.738 -0.077 -7.707 1.00 0.00 C ATOM 284 CG PHE A 19 1.446 0.118 -9.177 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.420 0.671 -10.015 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.202 -0.256 -9.700 1.00 0.00 C ATOM 287 CE1 PHE A 19 2.151 0.852 -11.377 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.067 -0.074 -11.062 1.00 0.00 C ATOM 289 CZ PHE A 19 0.908 0.479 -11.901 1.00 0.00 C ATOM 0 H PHE A 19 0.794 -2.280 -8.020 1.00 0.00 H new ATOM 0 HA PHE A 19 3.558 -1.220 -8.085 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.807 -0.203 -7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.232 0.807 -7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.380 0.958 -9.611 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.549 -0.685 -9.053 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.903 1.280 -12.024 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.027 -0.360 -11.466 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.701 0.618 -12.952 1.00 0.00 H new ATOM 299 N ASP A 20 2.048 -1.742 -5.204 1.00 0.00 N ATOM 300 CA ASP A 20 2.358 -1.927 -3.757 1.00 0.00 C ATOM 301 C ASP A 20 3.317 -3.109 -3.580 1.00 0.00 C ATOM 302 O ASP A 20 3.611 -3.823 -4.518 1.00 0.00 O ATOM 303 CB ASP A 20 1.008 -2.217 -3.095 1.00 0.00 C ATOM 304 CG ASP A 20 1.234 -2.843 -1.717 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.364 -2.093 -0.764 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.273 -4.060 -1.640 1.00 0.00 O ATOM 0 H ASP A 20 1.063 -1.835 -5.453 1.00 0.00 H new ATOM 0 HA ASP A 20 2.841 -1.055 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.435 -1.295 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.423 -2.891 -3.720 1.00 0.00 H new ATOM 311 N LYS A 21 3.814 -3.318 -2.392 1.00 0.00 N ATOM 312 CA LYS A 21 4.759 -4.452 -2.175 1.00 0.00 C ATOM 313 C LYS A 21 4.361 -5.257 -0.935 1.00 0.00 C ATOM 314 O LYS A 21 5.198 -5.808 -0.248 1.00 0.00 O ATOM 315 CB LYS A 21 6.122 -3.793 -1.973 1.00 0.00 C ATOM 316 CG LYS A 21 6.672 -3.342 -3.328 1.00 0.00 C ATOM 317 CD LYS A 21 7.367 -4.518 -4.014 1.00 0.00 C ATOM 318 CE LYS A 21 6.538 -4.969 -5.219 1.00 0.00 C ATOM 319 NZ LYS A 21 6.119 -6.361 -4.898 1.00 0.00 N ATOM 0 H LYS A 21 3.609 -2.757 -1.566 1.00 0.00 H new ATOM 0 HA LYS A 21 4.760 -5.151 -3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.030 -2.939 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.812 -4.494 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.862 -2.969 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.375 -2.520 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.367 -4.226 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.487 -5.343 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.674 -4.321 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.125 -4.935 -6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.141 -6.511 -5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.748 -7.033 -5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.175 -6.512 -3.871 1.00 0.00 H new ATOM 333 N ASP A 22 3.092 -5.333 -0.644 1.00 0.00 N ATOM 334 CA ASP A 22 2.649 -6.108 0.551 1.00 0.00 C ATOM 335 C ASP A 22 1.121 -6.214 0.586 1.00 0.00 C ATOM 336 O ASP A 22 0.526 -6.360 1.634 1.00 0.00 O ATOM 337 CB ASP A 22 3.163 -5.317 1.756 1.00 0.00 C ATOM 338 CG ASP A 22 2.914 -3.823 1.539 1.00 0.00 C ATOM 339 OD1 ASP A 22 3.467 -3.280 0.596 1.00 0.00 O ATOM 340 OD2 ASP A 22 2.178 -3.245 2.322 1.00 0.00 O ATOM 0 H ASP A 22 2.344 -4.894 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 22 3.033 -7.128 0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.660 -5.651 2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.228 -5.501 1.896 1.00 0.00 H new ATOM 345 N ASN A 23 0.485 -6.144 -0.555 1.00 0.00 N ATOM 346 CA ASN A 23 -1.005 -6.242 -0.597 1.00 0.00 C ATOM 347 C ASN A 23 -1.623 -5.485 0.580 1.00 0.00 C ATOM 348 O ASN A 23 -2.692 -5.818 1.052 1.00 0.00 O ATOM 349 CB ASN A 23 -1.320 -7.734 -0.485 1.00 0.00 C ATOM 350 CG ASN A 23 -0.321 -8.542 -1.319 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.596 -8.887 -2.451 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.835 -8.859 -0.803 1.00 0.00 N ATOM 0 H ASN A 23 0.935 -6.023 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.411 -5.807 -1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.273 -8.047 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.336 -7.927 -0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.508 -9.396 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.066 -8.569 0.147 1.00 0.00 H new ATOM 359 N ASN A 24 -0.961 -4.469 1.059 1.00 0.00 N ATOM 360 CA ASN A 24 -1.513 -3.692 2.205 1.00 0.00 C ATOM 361 C ASN A 24 -2.631 -2.763 1.724 1.00 0.00 C ATOM 362 O ASN A 24 -3.153 -1.966 2.478 1.00 0.00 O ATOM 363 CB ASN A 24 -0.332 -2.880 2.735 1.00 0.00 C ATOM 364 CG ASN A 24 -0.845 -1.768 3.653 1.00 0.00 C ATOM 365 OD1 ASN A 24 -0.369 -0.652 3.598 1.00 0.00 O ATOM 366 ND2 ASN A 24 -1.803 -2.029 4.499 1.00 0.00 N ATOM 0 H ASN A 24 -0.061 -4.143 0.707 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.944 -4.335 2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.353 -3.529 3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.229 -2.451 1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.153 -1.295 5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.202 -2.967 4.544 1.00 0.00 H new ATOM 373 N GLY A 25 -2.999 -2.854 0.475 1.00 0.00 N ATOM 374 CA GLY A 25 -4.078 -1.969 -0.046 1.00 0.00 C ATOM 375 C GLY A 25 -3.581 -0.524 -0.052 1.00 0.00 C ATOM 376 O GLY A 25 -4.344 0.406 -0.230 1.00 0.00 O ATOM 0 H GLY A 25 -2.600 -3.501 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.360 -2.274 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.969 -2.057 0.575 1.00 0.00 H new ATOM 380 N SER A 26 -2.306 -0.329 0.142 1.00 0.00 N ATOM 381 CA SER A 26 -1.751 1.053 0.149 1.00 0.00 C ATOM 382 C SER A 26 -0.397 1.074 -0.563 1.00 0.00 C ATOM 383 O SER A 26 0.319 0.091 -0.584 1.00 0.00 O ATOM 384 CB SER A 26 -1.588 1.402 1.627 1.00 0.00 C ATOM 385 OG SER A 26 -0.329 2.033 1.823 1.00 0.00 O ATOM 0 H SER A 26 -1.623 -1.070 0.296 1.00 0.00 H new ATOM 0 HA SER A 26 -2.394 1.765 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.393 2.063 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.655 0.500 2.235 1.00 0.00 H new ATOM 0 HG SER A 26 -0.230 2.280 2.766 1.00 0.00 H new ATOM 391 N ILE A 27 -0.038 2.182 -1.149 1.00 0.00 N ATOM 392 CA ILE A 27 1.271 2.256 -1.860 1.00 0.00 C ATOM 393 C ILE A 27 2.075 3.462 -1.368 1.00 0.00 C ATOM 394 O ILE A 27 1.582 4.292 -0.630 1.00 0.00 O ATOM 395 CB ILE A 27 0.907 2.418 -3.336 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.451 1.071 -3.899 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.127 2.906 -4.117 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.524 1.307 -5.053 1.00 0.00 C ATOM 0 H ILE A 27 -0.592 3.038 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 27 1.888 1.374 -1.685 1.00 0.00 H new ATOM 0 HB ILE A 27 0.102 3.146 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.312 0.499 -4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.029 0.481 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.864 3.020 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.454 3.866 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.934 2.180 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.850 0.348 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.389 1.862 -4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.028 1.880 -5.837 1.00 0.00 H new ATOM 410 N SER A 28 3.311 3.564 -1.775 1.00 0.00 N ATOM 411 CA SER A 28 4.152 4.714 -1.337 1.00 0.00 C ATOM 412 C SER A 28 5.234 4.996 -2.382 1.00 0.00 C ATOM 413 O SER A 28 5.225 4.441 -3.464 1.00 0.00 O ATOM 414 CB SER A 28 4.782 4.266 -0.019 1.00 0.00 C ATOM 415 OG SER A 28 5.465 5.364 0.572 1.00 0.00 O ATOM 0 H SER A 28 3.775 2.899 -2.393 1.00 0.00 H new ATOM 0 HA SER A 28 3.574 5.631 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.012 3.895 0.658 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.475 3.444 -0.195 1.00 0.00 H new ATOM 0 HG SER A 28 4.899 6.163 0.529 1.00 0.00 H new ATOM 421 N SER A 29 6.168 5.851 -2.070 1.00 0.00 N ATOM 422 CA SER A 29 7.249 6.164 -3.049 1.00 0.00 C ATOM 423 C SER A 29 8.084 4.912 -3.334 1.00 0.00 C ATOM 424 O SER A 29 8.478 4.660 -4.455 1.00 0.00 O ATOM 425 CB SER A 29 8.101 7.235 -2.370 1.00 0.00 C ATOM 426 OG SER A 29 9.190 6.611 -1.700 1.00 0.00 O ATOM 0 H SER A 29 6.230 6.347 -1.181 1.00 0.00 H new ATOM 0 HA SER A 29 6.853 6.505 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.472 7.945 -3.110 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.498 7.801 -1.660 1.00 0.00 H new ATOM 0 HG SER A 29 9.741 7.294 -1.264 1.00 0.00 H new ATOM 432 N SER A 30 8.358 4.130 -2.327 1.00 0.00 N ATOM 433 CA SER A 30 9.170 2.897 -2.540 1.00 0.00 C ATOM 434 C SER A 30 8.333 1.815 -3.227 1.00 0.00 C ATOM 435 O SER A 30 8.627 1.396 -4.329 1.00 0.00 O ATOM 436 CB SER A 30 9.579 2.447 -1.139 1.00 0.00 C ATOM 437 OG SER A 30 10.094 1.124 -1.201 1.00 0.00 O ATOM 0 H SER A 30 8.056 4.290 -1.366 1.00 0.00 H new ATOM 0 HA SER A 30 10.033 3.080 -3.181 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.331 3.123 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.721 2.484 -0.468 1.00 0.00 H new ATOM 0 HG SER A 30 10.359 0.834 -0.303 1.00 0.00 H new ATOM 443 N GLU A 31 7.293 1.358 -2.583 1.00 0.00 N ATOM 444 CA GLU A 31 6.437 0.300 -3.196 1.00 0.00 C ATOM 445 C GLU A 31 6.215 0.591 -4.683 1.00 0.00 C ATOM 446 O GLU A 31 6.612 -0.173 -5.540 1.00 0.00 O ATOM 447 CB GLU A 31 5.114 0.365 -2.432 1.00 0.00 C ATOM 448 CG GLU A 31 5.387 0.283 -0.929 1.00 0.00 C ATOM 449 CD GLU A 31 4.142 -0.244 -0.211 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.057 -0.060 -0.736 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.296 -0.824 0.852 1.00 0.00 O ATOM 0 H GLU A 31 6.998 1.671 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 31 6.895 -0.687 -3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.591 1.292 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.464 -0.454 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.235 -0.374 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.653 1.267 -0.543 1.00 0.00 H new ATOM 458 N LEU A 32 5.581 1.688 -4.997 1.00 0.00 N ATOM 459 CA LEU A 32 5.336 2.020 -6.431 1.00 0.00 C ATOM 460 C LEU A 32 6.660 2.047 -7.198 1.00 0.00 C ATOM 461 O LEU A 32 6.802 1.426 -8.232 1.00 0.00 O ATOM 462 CB LEU A 32 4.697 3.409 -6.413 1.00 0.00 C ATOM 463 CG LEU A 32 3.315 3.342 -7.066 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.521 4.601 -6.712 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.473 3.249 -8.584 1.00 0.00 C ATOM 0 H LEU A 32 5.223 2.367 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 32 4.698 1.286 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.610 3.768 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.329 4.119 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 32 2.783 2.463 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.536 4.553 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.408 4.668 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.052 5.480 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.489 3.201 -9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.005 4.128 -8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.038 2.352 -8.837 1.00 0.00 H new ATOM 477 N ALA A 33 7.631 2.763 -6.699 1.00 0.00 N ATOM 478 CA ALA A 33 8.944 2.827 -7.402 1.00 0.00 C ATOM 479 C ALA A 33 9.476 1.413 -7.656 1.00 0.00 C ATOM 480 O ALA A 33 10.197 1.173 -8.603 1.00 0.00 O ATOM 481 CB ALA A 33 9.868 3.583 -6.447 1.00 0.00 C ATOM 0 H ALA A 33 7.572 3.305 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 33 8.870 3.319 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.858 3.672 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.463 4.578 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.942 3.039 -5.506 1.00 0.00 H new ATOM 487 N THR A 34 9.124 0.478 -6.817 1.00 0.00 N ATOM 488 CA THR A 34 9.610 -0.919 -7.012 1.00 0.00 C ATOM 489 C THR A 34 9.125 -1.465 -8.359 1.00 0.00 C ATOM 490 O THR A 34 9.703 -2.376 -8.915 1.00 0.00 O ATOM 491 CB THR A 34 9.002 -1.718 -5.859 1.00 0.00 C ATOM 492 OG1 THR A 34 8.908 -0.889 -4.709 1.00 0.00 O ATOM 493 CG2 THR A 34 9.888 -2.926 -5.550 1.00 0.00 C ATOM 0 H THR A 34 8.522 0.620 -6.006 1.00 0.00 H new ATOM 0 HA THR A 34 10.698 -0.979 -7.018 1.00 0.00 H new ATOM 0 HB THR A 34 8.007 -2.064 -6.140 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.349 -0.032 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.454 -3.495 -4.728 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.959 -3.561 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.884 -2.584 -5.268 1.00 0.00 H new ATOM 501 N VAL A 35 8.066 -0.913 -8.886 1.00 0.00 N ATOM 502 CA VAL A 35 7.545 -1.401 -10.196 1.00 0.00 C ATOM 503 C VAL A 35 8.662 -1.396 -11.244 1.00 0.00 C ATOM 504 O VAL A 35 8.575 -2.056 -12.261 1.00 0.00 O ATOM 505 CB VAL A 35 6.445 -0.411 -10.579 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.894 -0.768 -11.962 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.315 -0.482 -9.549 1.00 0.00 C ATOM 0 H VAL A 35 7.539 -0.146 -8.467 1.00 0.00 H new ATOM 0 HA VAL A 35 7.170 -2.423 -10.137 1.00 0.00 H new ATOM 0 HB VAL A 35 6.857 0.598 -10.601 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.110 -0.062 -12.235 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.697 -0.720 -12.697 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.482 -1.777 -11.940 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.530 0.224 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.904 -1.492 -9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.705 -0.229 -8.563 1.00 0.00 H new ATOM 639 N SER A 44 14.082 7.391 -8.922 1.00 0.00 N ATOM 640 CA SER A 44 14.692 8.499 -8.132 1.00 0.00 C ATOM 641 C SER A 44 13.619 9.187 -7.284 1.00 0.00 C ATOM 642 O SER A 44 12.485 9.311 -7.697 1.00 0.00 O ATOM 643 CB SER A 44 15.256 9.465 -9.172 1.00 0.00 C ATOM 644 OG SER A 44 15.529 8.754 -10.373 1.00 0.00 O ATOM 0 HA SER A 44 15.464 8.146 -7.448 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.544 10.267 -9.364 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.167 9.931 -8.796 1.00 0.00 H new ATOM 0 HG SER A 44 14.788 8.142 -10.566 1.00 0.00 H new ATOM 650 N GLU A 45 13.971 9.623 -6.101 1.00 0.00 N ATOM 651 CA GLU A 45 12.978 10.299 -5.211 1.00 0.00 C ATOM 652 C GLU A 45 11.988 11.128 -6.034 1.00 0.00 C ATOM 653 O GLU A 45 10.789 10.977 -5.913 1.00 0.00 O ATOM 654 CB GLU A 45 13.813 11.207 -4.307 1.00 0.00 C ATOM 655 CG GLU A 45 12.972 11.643 -3.105 1.00 0.00 C ATOM 656 CD GLU A 45 12.537 10.410 -2.312 1.00 0.00 C ATOM 657 OE1 GLU A 45 11.496 9.859 -2.633 1.00 0.00 O ATOM 658 OE2 GLU A 45 13.250 10.037 -1.396 1.00 0.00 O ATOM 0 H GLU A 45 14.910 9.539 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 45 12.386 9.582 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.705 10.680 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.151 12.081 -4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.549 12.313 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.097 12.199 -3.442 1.00 0.00 H new ATOM 665 N ALA A 46 12.476 11.997 -6.876 1.00 0.00 N ATOM 666 CA ALA A 46 11.553 12.821 -7.706 1.00 0.00 C ATOM 667 C ALA A 46 10.445 11.935 -8.279 1.00 0.00 C ATOM 668 O ALA A 46 9.285 12.083 -7.949 1.00 0.00 O ATOM 669 CB ALA A 46 12.423 13.390 -8.826 1.00 0.00 C ATOM 0 H ALA A 46 13.470 12.172 -7.025 1.00 0.00 H new ATOM 0 HA ALA A 46 11.069 13.612 -7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.812 14.011 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.222 13.994 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.857 12.572 -9.401 1.00 0.00 H new ATOM 675 N GLU A 47 10.794 11.008 -9.130 1.00 0.00 N ATOM 676 CA GLU A 47 9.762 10.106 -9.717 1.00 0.00 C ATOM 677 C GLU A 47 9.118 9.267 -8.610 1.00 0.00 C ATOM 678 O GLU A 47 7.914 9.251 -8.450 1.00 0.00 O ATOM 679 CB GLU A 47 10.528 9.212 -10.692 1.00 0.00 C ATOM 680 CG GLU A 47 11.299 10.082 -11.686 1.00 0.00 C ATOM 681 CD GLU A 47 10.541 10.136 -13.013 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.609 10.919 -13.110 1.00 0.00 O ATOM 683 OE2 GLU A 47 10.906 9.396 -13.912 1.00 0.00 O ATOM 0 H GLU A 47 11.749 10.836 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 47 8.961 10.653 -10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.217 8.568 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.836 8.560 -11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.423 11.088 -11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.298 9.676 -11.842 1.00 0.00 H new ATOM 690 N VAL A 48 9.917 8.579 -7.842 1.00 0.00 N ATOM 691 CA VAL A 48 9.363 7.746 -6.734 1.00 0.00 C ATOM 692 C VAL A 48 8.256 8.514 -6.011 1.00 0.00 C ATOM 693 O VAL A 48 7.086 8.197 -6.115 1.00 0.00 O ATOM 694 CB VAL A 48 10.546 7.519 -5.792 1.00 0.00 C ATOM 695 CG1 VAL A 48 10.114 6.635 -4.624 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.680 6.835 -6.552 1.00 0.00 C ATOM 0 H VAL A 48 10.933 8.557 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 48 8.931 6.810 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 48 10.889 8.480 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.960 6.476 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.307 7.123 -4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.766 5.674 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.523 6.674 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.334 5.876 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.994 7.467 -7.383 1.00 0.00 H new ATOM 706 N ASN A 49 8.628 9.525 -5.283 1.00 0.00 N ATOM 707 CA ASN A 49 7.625 10.336 -4.546 1.00 0.00 C ATOM 708 C ASN A 49 6.558 10.855 -5.520 1.00 0.00 C ATOM 709 O ASN A 49 5.379 10.847 -5.226 1.00 0.00 O ATOM 710 CB ASN A 49 8.454 11.477 -3.945 1.00 0.00 C ATOM 711 CG ASN A 49 7.630 12.768 -3.870 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.762 12.900 -3.030 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.867 13.729 -4.720 1.00 0.00 N ATOM 0 H ASN A 49 9.595 9.828 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 49 7.085 9.780 -3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.794 11.199 -2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.345 11.643 -4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.324 14.591 -4.679 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.596 13.618 -5.425 1.00 0.00 H new ATOM 720 N ASP A 50 6.965 11.303 -6.677 1.00 0.00 N ATOM 721 CA ASP A 50 5.973 11.818 -7.665 1.00 0.00 C ATOM 722 C ASP A 50 4.918 10.749 -7.955 1.00 0.00 C ATOM 723 O ASP A 50 3.759 11.046 -8.163 1.00 0.00 O ATOM 724 CB ASP A 50 6.788 12.124 -8.923 1.00 0.00 C ATOM 725 CG ASP A 50 7.357 13.540 -8.831 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.387 14.077 -7.735 1.00 0.00 O ATOM 727 OD2 ASP A 50 7.754 14.066 -9.859 1.00 0.00 O ATOM 0 H ASP A 50 7.938 11.335 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 50 5.443 12.698 -7.300 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.597 11.402 -9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.159 12.030 -9.808 1.00 0.00 H new ATOM 732 N LEU A 51 5.311 9.503 -7.967 1.00 0.00 N ATOM 733 CA LEU A 51 4.331 8.414 -8.242 1.00 0.00 C ATOM 734 C LEU A 51 3.338 8.301 -7.084 1.00 0.00 C ATOM 735 O LEU A 51 2.140 8.387 -7.269 1.00 0.00 O ATOM 736 CB LEU A 51 5.172 7.143 -8.357 1.00 0.00 C ATOM 737 CG LEU A 51 5.125 6.629 -9.795 1.00 0.00 C ATOM 738 CD1 LEU A 51 5.702 7.688 -10.736 1.00 0.00 C ATOM 739 CD2 LEU A 51 5.953 5.346 -9.904 1.00 0.00 C ATOM 0 H LEU A 51 6.268 9.193 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 51 3.749 8.596 -9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.202 7.348 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.794 6.381 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 51 4.092 6.421 -10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.668 7.321 -11.762 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.114 8.603 -10.659 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.735 7.896 -10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.920 4.978 -10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.986 5.555 -9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.543 4.590 -9.234 1.00 0.00 H new ATOM 751 N MET A 52 3.824 8.109 -5.888 1.00 0.00 N ATOM 752 CA MET A 52 2.904 7.994 -4.721 1.00 0.00 C ATOM 753 C MET A 52 2.070 9.271 -4.583 1.00 0.00 C ATOM 754 O MET A 52 0.862 9.225 -4.464 1.00 0.00 O ATOM 755 CB MET A 52 3.818 7.814 -3.507 1.00 0.00 C ATOM 756 CG MET A 52 3.027 8.085 -2.225 1.00 0.00 C ATOM 757 SD MET A 52 3.095 9.853 -1.838 1.00 0.00 S ATOM 758 CE MET A 52 4.896 9.991 -1.729 1.00 0.00 C ATOM 0 H MET A 52 4.817 8.027 -5.669 1.00 0.00 H new ATOM 0 HA MET A 52 2.204 7.165 -4.826 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.222 6.802 -3.490 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.667 8.495 -3.574 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.991 7.768 -2.350 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.440 7.505 -1.400 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.159 10.727 -0.969 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.319 9.023 -1.459 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.296 10.306 -2.693 1.00 0.00 H new ATOM 768 N ASN A 53 2.708 10.410 -4.599 1.00 0.00 N ATOM 769 CA ASN A 53 1.954 11.691 -4.468 1.00 0.00 C ATOM 770 C ASN A 53 1.088 11.927 -5.707 1.00 0.00 C ATOM 771 O ASN A 53 0.082 12.609 -5.652 1.00 0.00 O ATOM 772 CB ASN A 53 3.030 12.771 -4.353 1.00 0.00 C ATOM 773 CG ASN A 53 2.553 13.869 -3.400 1.00 0.00 C ATOM 774 OD1 ASN A 53 3.347 14.489 -2.722 1.00 0.00 O ATOM 775 ND2 ASN A 53 1.277 14.136 -3.319 1.00 0.00 N ATOM 0 H ASN A 53 3.718 10.509 -4.697 1.00 0.00 H new ATOM 0 HA ASN A 53 1.283 11.689 -3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.959 12.335 -3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.242 13.194 -5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.948 14.865 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.610 13.615 -3.888 1.00 0.00 H new ATOM 782 N GLU A 54 1.467 11.373 -6.826 1.00 0.00 N ATOM 783 CA GLU A 54 0.664 11.570 -8.066 1.00 0.00 C ATOM 784 C GLU A 54 -0.788 11.141 -7.835 1.00 0.00 C ATOM 785 O GLU A 54 -1.714 11.784 -8.287 1.00 0.00 O ATOM 786 CB GLU A 54 1.326 10.675 -9.115 1.00 0.00 C ATOM 787 CG GLU A 54 2.105 11.539 -10.108 1.00 0.00 C ATOM 788 CD GLU A 54 1.457 11.439 -11.490 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.310 11.834 -11.615 1.00 0.00 O ATOM 790 OE2 GLU A 54 2.120 10.970 -12.400 1.00 0.00 O ATOM 0 H GLU A 54 2.298 10.792 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 54 0.639 12.614 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.997 9.965 -8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.569 10.092 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.115 12.576 -9.774 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.143 11.210 -10.157 1.00 0.00 H new ATOM 797 N ILE A 55 -0.994 10.059 -7.137 1.00 0.00 N ATOM 798 CA ILE A 55 -2.387 9.591 -6.880 1.00 0.00 C ATOM 799 C ILE A 55 -2.754 9.794 -5.407 1.00 0.00 C ATOM 800 O ILE A 55 -3.858 9.505 -4.989 1.00 0.00 O ATOM 801 CB ILE A 55 -2.374 8.103 -7.230 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.572 7.338 -6.175 1.00 0.00 C ATOM 803 CG2 ILE A 55 -1.727 7.907 -8.603 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.302 5.916 -6.668 1.00 0.00 C ATOM 0 H ILE A 55 -0.259 9.478 -6.733 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.122 10.142 -7.466 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.397 7.727 -7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.630 7.850 -5.977 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.123 7.309 -5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.718 6.846 -8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.298 8.452 -9.355 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.704 8.283 -8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.731 5.372 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.249 5.406 -6.843 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.733 5.955 -7.597 1.00 0.00 H new ATOM 816 N ASP A 56 -1.840 10.288 -4.619 1.00 0.00 N ATOM 817 CA ASP A 56 -2.141 10.507 -3.176 1.00 0.00 C ATOM 818 C ASP A 56 -3.240 11.562 -3.021 1.00 0.00 C ATOM 819 O ASP A 56 -2.977 12.747 -2.969 1.00 0.00 O ATOM 820 CB ASP A 56 -0.831 11.005 -2.567 1.00 0.00 C ATOM 821 CG ASP A 56 -0.812 10.691 -1.071 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.808 10.188 -0.578 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.200 10.955 -0.442 1.00 0.00 O ATOM 0 H ASP A 56 -0.898 10.549 -4.911 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.498 9.601 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.016 10.528 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.729 12.079 -2.725 1.00 0.00 H new ATOM 828 N VAL A 57 -4.472 11.138 -2.949 1.00 0.00 N ATOM 829 CA VAL A 57 -5.592 12.111 -2.800 1.00 0.00 C ATOM 830 C VAL A 57 -5.406 12.956 -1.537 1.00 0.00 C ATOM 831 O VAL A 57 -5.749 14.121 -1.502 1.00 0.00 O ATOM 832 CB VAL A 57 -6.852 11.252 -2.693 1.00 0.00 C ATOM 833 CG1 VAL A 57 -7.150 10.616 -4.049 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.637 10.148 -1.653 1.00 0.00 C ATOM 0 H VAL A 57 -4.752 10.158 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.643 12.808 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.690 11.879 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.048 10.003 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.306 11.399 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.309 9.992 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.537 9.537 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.798 9.522 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.423 10.598 -0.684 1.00 0.00 H new ATOM 844 N ASP A 58 -4.865 12.381 -0.498 1.00 0.00 N ATOM 845 CA ASP A 58 -4.663 13.160 0.760 1.00 0.00 C ATOM 846 C ASP A 58 -3.216 13.653 0.856 1.00 0.00 C ATOM 847 O ASP A 58 -2.925 14.626 1.525 1.00 0.00 O ATOM 848 CB ASP A 58 -4.978 12.183 1.896 1.00 0.00 C ATOM 849 CG ASP A 58 -4.207 10.878 1.687 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.079 10.946 1.227 1.00 0.00 O ATOM 851 OD2 ASP A 58 -4.758 9.833 1.991 1.00 0.00 O ATOM 0 H ASP A 58 -4.555 11.410 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.300 14.044 0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.708 12.626 2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.049 11.982 1.929 1.00 0.00 H new ATOM 856 N GLY A 59 -2.306 12.995 0.191 1.00 0.00 N ATOM 857 CA GLY A 59 -0.882 13.434 0.243 1.00 0.00 C ATOM 858 C GLY A 59 -0.253 13.003 1.570 1.00 0.00 C ATOM 859 O GLY A 59 0.234 13.818 2.329 1.00 0.00 O ATOM 0 H GLY A 59 -2.486 12.173 -0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.328 13.001 -0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.822 14.517 0.137 1.00 0.00 H new ATOM 863 N ASN A 60 -0.253 11.729 1.854 1.00 0.00 N ATOM 864 CA ASN A 60 0.350 11.251 3.130 1.00 0.00 C ATOM 865 C ASN A 60 1.534 10.324 2.837 1.00 0.00 C ATOM 866 O ASN A 60 1.788 9.379 3.556 1.00 0.00 O ATOM 867 CB ASN A 60 -0.769 10.488 3.840 1.00 0.00 C ATOM 868 CG ASN A 60 -1.158 9.264 3.010 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.461 9.380 1.840 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.165 8.085 3.571 1.00 0.00 N ATOM 0 H ASN A 60 -0.644 10.999 1.258 1.00 0.00 H new ATOM 0 HA ASN A 60 0.730 12.070 3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.440 10.178 4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.634 11.136 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.425 7.263 3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.911 7.986 4.554 1.00 0.00 H new ATOM 877 N HIS A 61 2.258 10.592 1.782 1.00 0.00 N ATOM 878 CA HIS A 61 3.429 9.732 1.431 1.00 0.00 C ATOM 879 C HIS A 61 2.959 8.333 1.021 1.00 0.00 C ATOM 880 O HIS A 61 3.752 7.439 0.807 1.00 0.00 O ATOM 881 CB HIS A 61 4.279 9.663 2.704 1.00 0.00 C ATOM 882 CG HIS A 61 4.364 11.029 3.330 1.00 0.00 C ATOM 883 ND1 HIS A 61 4.032 12.182 2.635 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.739 11.442 4.584 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.212 13.223 3.468 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.642 12.828 4.669 1.00 0.00 N ATOM 0 H HIS A 61 2.089 11.371 1.146 1.00 0.00 H new ATOM 0 HA HIS A 61 3.993 10.136 0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.840 8.956 3.408 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.278 9.298 2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.060 10.791 5.383 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.031 14.253 3.198 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.854 13.416 5.475 1.00 0.00 H new ATOM 894 N GLN A 62 1.672 8.141 0.903 1.00 0.00 N ATOM 895 CA GLN A 62 1.146 6.805 0.501 1.00 0.00 C ATOM 896 C GLN A 62 -0.254 6.958 -0.098 1.00 0.00 C ATOM 897 O GLN A 62 -0.905 7.968 0.072 1.00 0.00 O ATOM 898 CB GLN A 62 1.084 5.989 1.794 1.00 0.00 C ATOM 899 CG GLN A 62 2.481 5.886 2.406 1.00 0.00 C ATOM 900 CD GLN A 62 2.473 4.839 3.522 1.00 0.00 C ATOM 901 OE1 GLN A 62 2.589 5.172 4.684 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.340 3.577 3.215 1.00 0.00 N ATOM 0 H GLN A 62 0.961 8.854 1.068 1.00 0.00 H new ATOM 0 HA GLN A 62 1.772 6.324 -0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.401 6.461 2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.692 4.993 1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.206 5.611 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.788 6.854 2.803 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.243 3.297 2.239 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.334 2.871 3.951 1.00 0.00 H new ATOM 911 N ILE A 63 -0.723 5.965 -0.801 1.00 0.00 N ATOM 912 CA ILE A 63 -2.076 6.062 -1.409 1.00 0.00 C ATOM 913 C ILE A 63 -2.864 4.771 -1.168 1.00 0.00 C ATOM 914 O ILE A 63 -2.406 3.864 -0.501 1.00 0.00 O ATOM 915 CB ILE A 63 -1.821 6.259 -2.905 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.422 4.924 -3.538 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.697 7.277 -3.109 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.567 4.419 -4.419 1.00 0.00 C ATOM 0 H ILE A 63 -0.227 5.092 -0.980 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.662 6.875 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.731 6.628 -3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.517 5.047 -4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.196 4.193 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.519 7.414 -4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.984 8.230 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.214 6.914 -2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.286 3.468 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.461 4.281 -3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.771 5.148 -5.203 1.00 0.00 H new ATOM 930 N GLU A 64 -4.039 4.681 -1.722 1.00 0.00 N ATOM 931 CA GLU A 64 -4.862 3.450 -1.549 1.00 0.00 C ATOM 932 C GLU A 64 -5.419 3.023 -2.907 1.00 0.00 C ATOM 933 O GLU A 64 -5.459 3.803 -3.838 1.00 0.00 O ATOM 934 CB GLU A 64 -5.994 3.852 -0.602 1.00 0.00 C ATOM 935 CG GLU A 64 -5.426 4.673 0.558 1.00 0.00 C ATOM 936 CD GLU A 64 -6.567 5.132 1.465 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.530 4.394 1.593 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.459 6.214 2.019 1.00 0.00 O ATOM 0 H GLU A 64 -4.469 5.411 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.290 2.612 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.743 4.434 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.495 2.963 -0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.714 4.075 1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.882 5.536 0.174 1.00 0.00 H new ATOM 945 N PHE A 65 -5.841 1.796 -3.041 1.00 0.00 N ATOM 946 CA PHE A 65 -6.382 1.348 -4.355 1.00 0.00 C ATOM 947 C PHE A 65 -7.318 2.414 -4.929 1.00 0.00 C ATOM 948 O PHE A 65 -6.983 3.097 -5.874 1.00 0.00 O ATOM 949 CB PHE A 65 -7.157 0.064 -4.069 1.00 0.00 C ATOM 950 CG PHE A 65 -7.925 -0.310 -5.310 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.234 -0.665 -6.474 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.324 -0.285 -5.306 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.939 -0.997 -7.633 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.030 -0.616 -6.467 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.339 -0.971 -7.629 1.00 0.00 C ATOM 0 H PHE A 65 -5.835 1.090 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.588 1.184 -5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.474 -0.738 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.838 0.210 -3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.154 -0.682 -6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.858 -0.011 -4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.405 -1.273 -8.530 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.110 -0.597 -6.466 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.886 -1.226 -8.525 1.00 0.00 H new ATOM 965 N SER A 66 -8.491 2.548 -4.363 1.00 0.00 N ATOM 966 CA SER A 66 -9.466 3.567 -4.862 1.00 0.00 C ATOM 967 C SER A 66 -8.737 4.825 -5.344 1.00 0.00 C ATOM 968 O SER A 66 -9.070 5.392 -6.365 1.00 0.00 O ATOM 969 CB SER A 66 -10.351 3.889 -3.659 1.00 0.00 C ATOM 970 OG SER A 66 -10.719 5.260 -3.701 1.00 0.00 O ATOM 0 H SER A 66 -8.817 1.992 -3.572 1.00 0.00 H new ATOM 0 HA SER A 66 -10.043 3.198 -5.710 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.242 3.261 -3.670 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.819 3.672 -2.733 1.00 0.00 H new ATOM 0 HG SER A 66 -11.288 5.470 -2.931 1.00 0.00 H new ATOM 976 N GLU A 67 -7.735 5.259 -4.627 1.00 0.00 N ATOM 977 CA GLU A 67 -6.985 6.469 -5.066 1.00 0.00 C ATOM 978 C GLU A 67 -6.298 6.170 -6.399 1.00 0.00 C ATOM 979 O GLU A 67 -6.361 6.944 -7.333 1.00 0.00 O ATOM 980 CB GLU A 67 -5.954 6.728 -3.965 1.00 0.00 C ATOM 981 CG GLU A 67 -6.663 6.817 -2.612 1.00 0.00 C ATOM 982 CD GLU A 67 -5.674 7.295 -1.548 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.558 7.628 -1.911 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.049 7.319 -0.387 1.00 0.00 O ATOM 0 H GLU A 67 -7.406 4.831 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.627 7.338 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.215 5.927 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.416 7.654 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.506 7.505 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.067 5.843 -2.337 1.00 0.00 H new ATOM 991 N PHE A 68 -5.662 5.034 -6.495 1.00 0.00 N ATOM 992 CA PHE A 68 -4.991 4.658 -7.769 1.00 0.00 C ATOM 993 C PHE A 68 -6.019 4.702 -8.902 1.00 0.00 C ATOM 994 O PHE A 68 -5.703 5.022 -10.031 1.00 0.00 O ATOM 995 CB PHE A 68 -4.483 3.231 -7.526 1.00 0.00 C ATOM 996 CG PHE A 68 -4.363 2.475 -8.832 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.491 2.926 -9.830 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.118 1.313 -9.034 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.375 2.214 -11.031 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -5.001 0.601 -10.234 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.130 1.052 -11.232 1.00 0.00 C ATOM 0 H PHE A 68 -5.579 4.349 -5.743 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.177 5.325 -8.051 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.513 3.265 -7.029 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.165 2.706 -6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.908 3.822 -9.674 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.791 0.966 -8.264 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.703 2.561 -11.802 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.583 -0.296 -10.389 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.040 0.503 -12.158 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.250 4.394 -8.598 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.314 4.428 -9.641 1.00 0.00 C ATOM 1013 C LEU A 69 -8.625 5.878 -10.011 1.00 0.00 C ATOM 1014 O LEU A 69 -8.643 6.248 -11.168 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.529 3.768 -8.988 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.522 2.269 -9.290 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.901 2.041 -10.754 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.124 1.702 -9.032 1.00 0.00 C ATOM 0 H LEU A 69 -7.566 4.119 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.020 3.916 -10.557 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.510 3.932 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.447 4.221 -9.363 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.243 1.766 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.896 0.972 -10.969 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.897 2.444 -10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.181 2.544 -11.399 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.119 0.633 -9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.403 2.205 -9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.853 1.863 -7.989 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.865 6.706 -9.030 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.167 8.135 -9.318 1.00 0.00 C ATOM 1032 C ALA A 70 -8.179 8.674 -10.354 1.00 0.00 C ATOM 1033 O ALA A 70 -8.546 9.386 -11.268 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.991 8.852 -7.980 1.00 0.00 C ATOM 0 H ALA A 70 -8.865 6.453 -8.042 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.168 8.279 -9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.196 9.915 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.683 8.434 -7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.968 8.720 -7.628 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.926 8.333 -10.220 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.913 8.820 -11.199 1.00 0.00 C ATOM 1042 C LEU A 71 -5.871 7.894 -12.418 1.00 0.00 C ATOM 1043 O LEU A 71 -5.546 8.308 -13.513 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.582 8.777 -10.447 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.547 9.621 -11.191 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.071 10.760 -10.289 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.353 8.742 -11.573 1.00 0.00 C ATOM 0 H LEU A 71 -6.560 7.739 -9.476 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.140 9.821 -11.567 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.713 9.154 -9.433 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.234 7.748 -10.362 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.998 10.036 -12.092 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.333 11.361 -10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.920 11.386 -10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.620 10.346 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.614 9.342 -12.104 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.903 8.327 -10.671 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.690 7.930 -12.217 1.00 0.00 H new ATOM 1059 N MET A 72 -6.199 6.642 -12.237 1.00 0.00 N ATOM 1060 CA MET A 72 -6.178 5.694 -13.388 1.00 0.00 C ATOM 1061 C MET A 72 -7.259 6.073 -14.403 1.00 0.00 C ATOM 1062 O MET A 72 -6.996 6.732 -15.389 1.00 0.00 O ATOM 1063 CB MET A 72 -6.474 4.322 -12.784 1.00 0.00 C ATOM 1064 CG MET A 72 -5.232 3.439 -12.899 1.00 0.00 C ATOM 1065 SD MET A 72 -4.710 3.353 -14.630 1.00 0.00 S ATOM 1066 CE MET A 72 -3.098 2.581 -14.342 1.00 0.00 C ATOM 0 H MET A 72 -6.480 6.236 -11.344 1.00 0.00 H new ATOM 0 HA MET A 72 -5.224 5.709 -13.914 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.763 4.427 -11.738 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.313 3.858 -13.302 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.427 3.843 -12.285 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.448 2.439 -12.523 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.606 2.399 -15.297 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.480 3.244 -13.736 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.236 1.635 -13.819 1.00 0.00 H new